N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C16H19N3O2 — CID 53015641

IUPACN,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCCN(C)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C16H19N3O2/c1-4-9-18(2)16(20)14-12-10-21-13-8-6-5-7-11(13)15(12)19(3)17-14/h5-8H,4,9-10H2,1-3H3
InChIKeyWHJHULSMVDCBNP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.46
Rot. Bonds3

About N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 53015641) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID53015641
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCCN(C)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C16H19N3O2/c1-4-9-18(2)16(20)14-12-10-21-13-8-6-5-7-11(13)15(12)19(3)17-14/h5-8H,4,9-10H2,1-3H3
InChIKeyWHJHULSMVDCBNP-UHFFFAOYSA-N
XLogP2.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 53015641) is N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CCCN(C)C(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is WHJHULSMVDCBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-9-18(2)16(20)14-12-10-21-13-8-6-5-7-11(13)15(12)19(3)17-14/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 53015641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).